2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide

C21H22N4O4 — CID 118695126

IUPAC2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3CO)cc12
InChIInChI=1S/C21H22N4O4/c1-13-9-19(27)24-18-5-4-14(10-17(13)18)23-21(28)16-3-2-6-22-20(16)25-7-8-29-12-15(25)11-26/h2-6,9-10,15,26H,7-8,11-12H2,1H3,(H,23,28)(H,24,27)
InChIKeyAAZXJJKUEHLGHA-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.68
Rot. Bonds4

About 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide

2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide (PubChem CID 118695126) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide
PubChem CID118695126
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3CO)cc12
InChIInChI=1S/C21H22N4O4/c1-13-9-19(27)24-18-5-4-14(10-17(13)18)23-21(28)16-3-2-6-22-20(16)25-7-8-29-12-15(25)11-26/h2-6,9-10,15,26H,7-8,11-12H2,1H3,(H,23,28)(H,24,27)
InChIKeyAAZXJJKUEHLGHA-UHFFFAOYSA-N
XLogP1.68
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
N-[4-Methyl-3-[6-(4-Methylpiperazin-1-Yl)-4-Oxidanylidene-Quinazolin-3-Yl]phenyl]-2-Morpholin-4-Yl-Pyridine-4-Carboxamide
CID 22238181
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
2-fluoro-N-{2-[6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 9912093
4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
CID 46894109
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10833725
N-(2-carbamoylphenyl)-2-(piperidin-1-yl)pyridine-3-carboxamide
CID 2997445
N-(3-ethylphenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 9902148
N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10000408
11-[2-(2-Morpholin-4-ylmethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
CID 13578553
6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569925

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide (CID 118695126) is 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3CO)cc12.
What is the InChIKey of 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide?
The InChIKey is AAZXJJKUEHLGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-9-19(27)24-18-5-4-14(10-17(13)18)23-21(28)16-3-2-6-22-20(16)25-7-8-29-12-15(25)11-26/h2-6,9-10,15,26H,7-8,11-12H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide?
2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)morpholin-4-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 118695126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).